dimethyl 2-{[1-(adamantan-1-yl)-4-chloro-1H-pyrazole-3-carbonyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[1-(adamantan-1-yl)-4-chloro-1H-pyrazole-3-carbonyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[1-(adamantan-1-yl)-4-chloro-1H-pyrazole-3-carbonyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | Y501-3656 |
| Compound Name: | dimethyl 2-{[1-(adamantan-1-yl)-4-chloro-1H-pyrazole-3-carbonyl]amino}benzene-1,4-dicarboxylate |
| Molecular Weight: | 471.94 |
| Molecular Formula: | C24 H26 Cl N3 O5 |
| Smiles: | [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C[C@@](C2)(C3)n1cc(c(C(Nc2cc(ccc2C(=O)OC)C(=O)OC)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0735 |
| logD: | 4.2107 |
| logSw: | -5.2681 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.576 |
| InChI Key: | QMVPPIREXJZKLI-UHFFFAOYSA-N |